| CAS Number | 1355247-91-4 |
| Catalog Number | AG007ZJC(AGN-PC-0WA4GI) |
| Chemical Name | 1-Bromo-3-(t-butylaminomethyl)-2-fluorobenzene |
| IUPAC Name | N-[(3-bromo-2-fluorophenyl)methyl]-2-methylpropan-2-amine |
| InChI | InChI=1S/C11H15BrFN/c1-11(2,3)14-7-8-5-4-6-9(12)10(8)13/h4-6,14H,7H2,1-3H3 |
| InChI Key | XCPUFZDMMVRRTR-UHFFFAOYSA-N |
| MDL Number | MFCD21333080 |
| Molecular Formula | C11H15BrFN |
| Molecular Weight | 260.1459 |
| SMILES | CC(NCc1cccc(c1F)Br)(C)C |
| Synonyms | 1-Bromo-3-(t-butylaminomethyl)-2-fluorobenzene,
1355247-91-4,
ACMC-209c2t,
CTK8B0418,
DTXSID00742796,
ANW-19923,
MFCD21333080,
ZINC85476931,
AKOS025294393,
TC-108668,
V2473,
[(3-bromo-2-fluorophenyl)methyl](tert-butyl)amine,
N-[(3-bromo-2-fluorophenyl)methyl]-2-methylpropan-2-amine,
C11H15BrFN,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.15g/mol |
| Monoisotopic Mass | 259.037g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number